| SpectraBase Spectrum ID |
AR78xQOG50B |
| Name |
5.BETA.-PREGNAN-3.ALPHA.,20.ALPHA.-DIOL |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
320.271530397 u |
| Formula |
C21H36O2 |
| InChI |
InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey |
YWYQTGBBEZQBGO-BERLURQNSA-N |
| Molecular Weight |
320.517 g/mol |
| Nominal Mass |
320 u |
| Number of Peaks |
86 |
| SMILES |
O[C@]([C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@](C[C@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])(O)[H])C)[H])C)[H])(C)[H] |
| SPLASH |
splash10-00lr-9571000000-22635cc8b177e96ae2c6 |
| Source File Reference |
LMCM-33029-013E |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
PREGNANE-3,20-DIOL
(3R,5R,8R,9S,10S,13S,14S,17S)-17-((S)-1-hydroxyethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID |
4_385 |
